(2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide

C23H37N3O5 — CID 118313868

About (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide

(2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide (PubChem CID 118313868) has the molecular formula C23H37N3O5 and a molecular weight of 435.57 g/mol. Its IUPAC name is (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide
• PubChem CID: 118313868
• Molecular Formula: C23H37N3O5
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.27
• IUPAC Name: (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide
• SMILES: COCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](COC)O2)C2CC2)cc(OC)n1
• InChI: InChI=1S/C23H37N3O5/c1-16(17-11-18(7-5-6-10-28-2)25-22(12-17)30-4)26(19-8-9-19)23(27)21-14-24-13-20(31-21)15-29-3/h11-12,16,19-21,24H,5-10,13-15H2,1-4H3/t16-,20+,21-/m1/s1
• InChIKey: KTIOOAZNMQOXTM-TYCQWZJGSA-N
• XLogP: 2.11
• TPSA: 82.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?

The IUPAC name of (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide (CID 118313868) is (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide.

What is the SMILES notation for (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?

The canonical SMILES for (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide is COCCCCc1cc([C@@H](C)N(C(=O)[C@H]2CNC[C@@H](COC)O2)C2CC2)cc(OC)n1.

What is the InChIKey of (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?

The InChIKey is KTIOOAZNMQOXTM-TYCQWZJGSA-N. The full InChI is InChI=1S/C23H37N3O5/c1-16(17-11-18(7-5-6-10-28-2)25-22(12-17)30-4)26(19-8-9-19)23(27)21-14-24-13-20(31-21)15-29-3/h11-12,16,19-21,24H,5-10,13-15H2,1-4H3/t16-,20+,21-/m1/s1.

What are the key properties of (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide?

(2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 2.11, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,6S)-N-cyclopropyl-N-[(1R)-1-[2-methoxy-6-(4-methoxybutyl)-4-pyridinyl]ethyl]-6-(methoxymethyl)morpholine-2-carboxamide is sourced from PubChem (CID 118313868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).